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Inhibitor Report for: ARUK3000223

Name Class
ARUK3000223TypeFragment inhibitor of Notum
Trifluoro
Triazol
Other_Name (5)
Chemical_Nomenclature[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
FormulaC10H7ClF3N3O
CAS_number1267621-74-8
MW277.63
PaperZhao_2022_ACS.Chem.Neurosci_13_2060
Structure7PKV
CommentThe derivative of Fragment-286 (26 4F-329S in 6ZUV (Mahy et al.) one of the only fragment with a relatively low IC50 11.5+/-3.0 microM). The trifluoro variant (ARUK3000223 7b in PKV) has a IC50 0.065 microM (Lead series 2)
Gene_locushuman-NOTUM
CID62401451
FamilyPectinacetylesterase-Notum
InChIKeyMTSIIXPDVHCKBB-UHFFFAOYSA-N
CanonicalSMILESC1=CC(=C(C=C1N2C=C(N=N2)CO)C(F)(F)F)Cl
InChIInChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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